SCHEMBL6437231

SCHEMBL6437231

CC(C)(O)Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
CYP2C9 P11712 2/20 0.48
ACP3 P15309 1/20 0.47
SSTR4 P31391 1/20 0.46
CASR P41180 1/20 0.46
NR3C1 P04150 1/20 0.44
NR3C2 P08235 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
ADRA2A P08913 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HPGD P15428 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL808870 0.88 TDP1 (0.53) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL16670500 0.85 CYP2C19 (0.41) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL28759548 0.85 CYP2C19 (0.47) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL11586023 0.83 CYP2D6 (0.53) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL31675157 0.83 CYP2D6 (0.53) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL7278100 0.83 TDP1 (0.49) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL809183 0.82 TDP1 (0.47) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL4814074 0.82 CYP2D6 (0.52) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL1744336 0.81 CYP2C19 (0.47) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL7287681 0.80 TDP1 (0.54) CYP2C19CYP1A2CYP2D6TDP1ACP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2024-08-13 US disclosed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 US disclosed
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2022-08-02 US disclosed
CN-107501241-B Compounds, pharmaceutical compositions containing them and their use in the treatment of proliferative diseases 梅制药公司 2020-10-13 CN disclosed
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2020-10-08 US disclosed
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2020-03-31 US disclosed
US-10335415-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2019-07-02 US disclosed
US-20190194242-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2019-06-27 US disclosed
US-20190083506-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS, INC. 2019-03-21 US disclosed
US-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2019-02-05 US disclosed
EP-2691384-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES MEI Pharma, Inc. (US) 2014-02-05 EP disclosed
WO-2012135160-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 WO disclosed
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 US disclosed
EP-1288203-B1 Cyclic nitrones and pharmaceutical compositions containing them AVENTIS PHARMA INC (US) 2005-04-20 EP disclosed
EP-1288203-A1 Cyclic nitrones and pharmaceutical compositions containing them Aventis Pharmaceuticals Inc. (US) 2003-03-05 EP disclosed
US-6211397-B1 CHLORINATION OF PHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed
EP-0863878-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997010218-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1997-03-20 WO disclosed
WO-1993005053-A1 PROCESS FOR PRODUCING α-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885
US-20190194242-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 CYP2C19 4703/4885CYP1A2 4829/4885CYP2D6 3722/4885
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885
US-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 CYP2C19 4703/4885CYP1A2 4829/4885CYP2D6 3722/4885
US-10335415-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885
US-20190083506-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 CYP2C19 364/4885CYP1A2 224/4885CYP2D6 689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.